3MF1
Crystal structure of class II aaRS homologue (Bll0957) complexed with an analogue of glycyl adenylate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-04-21 |
Detector | OXFORD RUBY CCD |
Wavelength(s) | 1.54056 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 128.092, 101.304, 50.479 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.410 - 2.200 |
R-factor | 0.19 |
Rwork | 0.188 |
R-free | 0.22800 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.009 |
RMSD bond angle | 1.020 |
Data reduction software | CrysalisPro (Pro) |
Data scaling software | SCALA (CCP4_3.3.9) |
Phasing software | REFMAC (5.2) |
Refinement software | TNT |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.820 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.120 | 0.550 |
Total number of observations | 48773 | |
Number of reflections | 33974 | |
<I/σ(I)> | 17.7372 | |
Completeness [%] | 99.6 | 99.39 |
Redundancy | 10.04 | 10.08 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | hanging drop | 4.6 | 291 | PEG 4000, gycerol, pH 4.6, hanging drop, temperature 291K |